2-Amino-4,5-imidazoledicarbonitrile (AIDCN) - ≥97% , CAS No.40953-34-2

CAS: 40953-34-2 Cat. No.: A102203 Molecular Weight: 133.11 EC Number: 255-163-2

GRADE & PURITY ≥97%

Synonyms

1H-Imidazole-4,5-dicarbonitrile, 2-amino- | 2-aminoimidazole-4,5-dicarbonitrile | EN300-21296 | 2-Amino-4,5-dicyanoimidazole | AKOS000120234 | A825362 | 2-Amino-4,5-imidazoledicarbonitrile | MFCD00129982 | 2-Amino-4,5-dicyano-1H-imidazole | AMY25670 | 2-A

Storage

Room temperature

Shipped In

Normal

Overview

2-Amino-4,5-imidazoledicarbonitrile (AIDCN) is an organic compound having low conductivity, good film formability and stability. It is reported to form a unprecedented 3-D metal-organic framework (MOF) of silver(I). The junction characteristics of the AIDCN on p-type silicon substrate has been studied.

Application：

2-Amino-4,5-imidazoledicarbonitrile may be used in the fabrication of an organic electrical bistable device comprising of a thin metal layer embedded within the organic material. It may be used to fabricate the devices with the nominal layer structure of organic/metal-nanocluster/organic interposed between two electrodes by a vacuum evaporation method.

Specifications

Synonyms

1H-Imidazole-4, 5-dicarbonitrile, 2-amino- | 2-aminoimidazole-4, 5-dicarbonitrile | EN300-21296 | 2-Amino-4, 5-dicyanoimidazole | AKOS000120234 | A825362 | 2-Amino-4, 5-imidazoledicarbonitrile | MFCD00129982 | 2-Amino-4, 5-dicyano-1H-imidazole | AMY25670 | 2-A

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188445
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188445
• Canonical Smiles: C(#N)C1=C(N=C(N1)N)C#N
• IUPAC Name: 2-amino-1H-imidazole-4,5-dicarbonitrile
• InChIKey: MLOXIXGLIZLPDP-UHFFFAOYSA-N
• INCHI: 1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)
• Isomeric SMILES: C(#N)C1=C(N=C(N1)N)C#N
• WGK Germany: 3
• Molecular Weight: 133.11
• Reaxy-Rn: 879801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Trisubstituted imidazoles
            • Level7 2,4,5-trisubstituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles - Trisubstituted imidazoles
• Direct Parent: 2,4,5-trisubstituted imidazoles
• Alternative Parents: Aminoimidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted-imidazole - Aminoimidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 2.1 g/l 20 °C; Soluble in Methanol,Ethanol,Acetone
• Melt Point(°C): 270 °C
• Molecular Weight: 133.110 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.039 Da
• Monoisotopic Mass: 133.039 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yaqian Dong, Shuyu Yue, Tiehua Ma, Yaohui Zhang.  (2026)  Molecularly engineered MnN4 sites on hierarchical carbons as pH-universal oxygen reduction electrocatalysts for high-energy zinc-air battery.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2026.120759]